7KVN

Human CYP3A4 bound to an inhibitor

7KVN の概要

• エントリーDOI: 10.2210/pdb7kvn/pdb
• 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate, ... (4 entities in total)
• 機能のキーワード: cyp3a4, inhibitor, complex, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 113894.12

構造登録者

Sevrioukova, I. (登録日: 2020-11-28, 公開日: 2021-01-20, 最終更新日: 2023-10-18)

• 主引用文献: Samuels, E.R.,Sevrioukova, I.F.; Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength.; Int J Mol Sci, 22:-, 2021; PubMed: 33467005; DOI: 10.3390/ijms22020852

実験手法

X-RAY DIFFRACTION (2.7 Å)